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2-(4-Aminobenzyl)-5-[4-(methansulfonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-one
SpectraBase Compound ID wILzCy9R9J
InChI InChI=1S/C21H25N3O3S/c1-28(26,27)24-10-8-23(9-11-24)19-6-7-20-16(14-19)13-17(21(20)25)12-15-2-4-18(22)5-3-15/h2-7,14,17H,8-13,22H2,1H3
InChIKey LGIKBVBBDQAKHZ-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69jcNkxot6z
Name 2-(4-Aminobenzyl)-5-[4-(methansulfonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-one
Alternate Name(s) 2-(4-aminobenzyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-2,3-dihydro-1H-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3S
InChI InChI=1S/C21H25N3O3S/c1-28(26,27)24-10-8-23(9-11-24)19-6-7-20-16(14-19)13-17(21(20)25)12-15-2-4-18(22)5-3-15/h2-7,14,17H,8-13,22H2,1H3
InChIKey LGIKBVBBDQAKHZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200800126
Molecular Weight 399.509 g/mol
SMILES Nc1ccc(CC2C(c3ccc(cc3C2)N2CCN(CC2)S(C)(=O)=O)=O)cc1
SPLASH splash10-0a4i-2976100000-bac87e47a74e2ee965c7
Source of Spectrum QA-55-852-15
Wiley ID 1796396